[Wannier] Projection onto spin-orbit coupled basis

[Karunya Shirali]

Dear Wannier90 experts,

I am studying the topological insulator Bi2Se3 which has strong spin-orbit
coupling, and have obtained the tight-binding Hamiltonian for the bulk
system when projected onto Wannier functions.
I am using Quantum Espresso v.6.7 and Wannier90 v. 3.0.0.

Using Wannier90, I have projected the bands obtained from Quantum Espresso
onto the Bi p and Se p orbitals and obtained well-localized Wannier
functions, as well as the tight-binding hoppings from the file _hr.dat. The
projections, as obtained from the spinor_projections block in the .nnkp
file, are made onto the Bi and Se px, py and pz orbitals, with '+' and '-'
projections of the spin along the z-axis.

Is it possible instead to specify the initial projectors in Wannier90 as
the spin-orbit states p1/2 and p3/2 (i.e., j = 1/2, 3/2) for each atom?
I would like to obtain the tight-binding hopping parameters between these
orbitals.

Thank you,
Karunya Shirali
PhD student, Louisiana State University
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